methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate

C12H24N2O4S — CID 54942768

IUPACmethyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H24N2O4S/c1-11-7-4-5-10-14(11)19(16,17)13(2)9-6-8-12(15)18-3/h11H,4-10H2,1-3H3
InChIKeyPQIOXXSBYAEEHX-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.99
Rot. Bonds6

About methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate

methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate (PubChem CID 54942768) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate
PubChem CID54942768
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H24N2O4S/c1-11-7-4-5-10-14(11)19(16,17)13(2)9-6-8-12(15)18-3/h11H,4-10H2,1-3H3
InChIKeyPQIOXXSBYAEEHX-UHFFFAOYSA-N
XLogP0.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate?
The IUPAC name of methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate (CID 54942768) is methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate?
The canonical SMILES for methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate is COC(=O)CCCN(C)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate?
The InChIKey is PQIOXXSBYAEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-11-7-4-5-10-14(11)19(16,17)13(2)9-6-8-12(15)18-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate?
methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate has a molecular weight of 292.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate is sourced from PubChem (CID 54942768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).